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GPCR

NameKappa-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprk1
SynonymK-OR-1
kappa receptor
KOP
KOPr
KOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP34975
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3614
IUPHAR318
DrugBankN/A

Ligand

NameCHEMBL3397594
Molecular formulaC31H44FN3O3
IUPAC name(3R)-2-(3-fluoropropyl)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight525.709
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.8
SynonymsBDBM50062533
ZINC299856532
Inchi KeyCREDBFDHPABKBD-MCLRFQSUSA-N
Inchi IDInChI=1S/C31H44FN3O3/c1-21(2)28(20-34-14-11-31(4,22(3)18-34)25-7-5-8-26(36)17-25)33-30(38)29-16-23-9-10-27(37)15-24(23)19-35(29)13-6-12-32/h5,7-10,15,17,21-22,28-29,36-37H,6,11-14,16,18-20H2,1-4H3,(H,33,38)/t22-,28+,29+,31+/m0/s1
PubChem CID118726847
ChEMBLCHEMBL3397594
IUPHARN/A
BindingDB50062533
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.6 nMPMID25513968BindingDB
Ki1.62 nMPMID25513968ChEMBL

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